(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane

C8H13IO2 — CID 67237087

IUPAC(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILESIC[C@H]1CCC2(C1)OCCO2
InChIInChI=1S/C8H13IO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2/t7-/m0/s1
InChIKeyJSKRZDVZAALDJE-ZETCQYMHSA-N
MW268.09 g/mol
LogP1.96
Rot. Bonds1

About (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane

(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane (PubChem CID 67237087) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
PubChem CID67237087
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILESIC[C@H]1CCC2(C1)OCCO2
InChIInChI=1S/C8H13IO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2/t7-/m0/s1
InChIKeyJSKRZDVZAALDJE-ZETCQYMHSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

8-(Fluoromethyl)-1,4-dioxaspiro[4.4]nonane
CID 166085946
2,3,8-Trimethyl-1,4-dioxaspiro[4.4]nonane
CID 20769609
(2R,3R,8S)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 45098510
8-(Iodomethyl)-1,4-dioxaspiro[4.4]nonane
CID 58024225
8-Methyl-1,4-dioxaspiro[4.4]nonane
CID 86135239
(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 89135517
4-(2-iodoethyl)-2-methyl-2-[(2S)-2-methylbutyl]-1,3-dioxolane
CID 130358748
ethane;(3R,8R)-2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 142104338
3,8-Dimethyl-1,4-dioxaspiro[4.4]nonane
CID 143310462
Ethane;8-methyl-1,4-dioxaspiro[4.4]nonane
CID 153565972
Ethane;8-methyl-1,4-dioxaspiro[4.4]nonane
CID 153566183
7,8-Bis(iodomethyl)-1,4-dioxaspiro[4.4]nonane
CID 13235318

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane (CID 67237087) is (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane is IC[C@H]1CCC2(C1)OCCO2.
What is the InChIKey of (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The InChIKey is JSKRZDVZAALDJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13IO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2/t7-/m0/s1.
What are the key properties of (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
(8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane has a molecular weight of 268.09 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 67237087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).